SCHEMBL13313448

SCHEMBL13313448

Cc1cnc2c(O)ccnc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
CCR1 P32246 3/20 0.45
CCR5 P51681 3/20 0.45
CCR8 P51685 3/20 0.45
CYP1A2 P05177 1/20 0.37
PSMD14 O00487 1/20 0.37
COPS5 Q92905 1/20 0.37
ALDH1A1 P00352 2/20 0.36
PARP1 P09874 1/20 0.36
UHRF1 Q96T88 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTT P42858 1/20 0.34
PLAU P00749 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
TLR8 Q9NR97 2/20 0.33
COMT P21964 1/20 0.33
NOS3 P29474 2/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29229344 0.80 MEN1 (0.38) KDM4EALDH1A1ADRA1ATLR8COMT
SCHEMBL18266946 0.80 CCR1 (0.48) KDM4ECCR1CCR5CCR8CYP1A2
SCHEMBL12629421 0.77 CCR1 (0.45) KDM4ECCR1CCR5CCR8CYP1A2
SCHEMBL4758288 0.77 CCR1 (0.45) KDM4ECCR1CCR5CCR8CYP1A2
SCHEMBL1141394 0.77 HTT (0.36) KDM4ECYP1A2ALDH1A1HTTMEN1
SCHEMBL2698318 0.77 HSP90AA1 (0.34) KDM4EALDH1A1PARP1HTTADRA1A
SCHEMBL15272132 0.77 KDM4E (0.34) KDM4EALDH1A1ADRA1ACOMTMEN1
SCHEMBL23170997 0.77 TLR8 (0.43) KDM4ECCR1CCR5CCR8CYP1A2
SCHEMBL13406188 0.75 PSMD14 (0.35) KDM4EPSMD14MEN1KMT2A
SCHEMBL18779068 0.74 CCR1 (0.42) KDM4ECCR1CCR5CCR8CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160346-A1 NEUROLOGICALLY ACTIVE COMPOUNDS PRANA BIOTECHNOLOGY LIMITED (AU) 2010-06-24 US disclosed
US-7692011-B2 8-hydroxy and 8-mercapto quinazolinones PRANA BIOTECHNOLOGY LIMITED (AU) 2010-04-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100160346-A1 NEUROLOGICALLY ACTIVE COMPOUNDS ACHE, PSEN1, PSEN2 KDM4E 3329/4885CCR1 4660/4885CCR5 4645/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.